3.8 Article

Materials genome project: The application of principal component analysis to the formability of perovskites and inverse perovskites

Journal

COMPUTATIONAL CONDENSED MATTER
Volume 24, Issue -, Pages -

Publisher

ELSEVIER
DOI: 10.1016/j.cocom.2020.e00495

Keywords

Principal component analysis; Partial least square; Perovskite; Formability

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We present a throughout multivariate technique in order to predict the formability of perovskites and inverse perovskites compounds, on the basis of the unified atomic-ionic radii of the different species. In this study we demonstrate the utility of the principal component analysis (PCA) and the partial least square methods (PLS) to examine the statistical impact of the perovskites and inverse perovskites intrinsic characteristics on their stability. (C) 2020 Elsevier B.V. All rights reserved.

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